tert-butyl 4-phosphanylpiperazine-1-carboxylate;ethane

C11H25N2O2P — CID 90729133

IUPACtert-butyl 4-phosphanylpiperazine-1-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CCN(P)CC1
InChIInChI=1S/C9H19N2O2P.C2H6/c1-9(2,3)13-8(12)10-4-6-11(14)7-5-10;1-2/h4-7,14H2,1-3H3;1-2H3
InChIKeyMSXCWIPRKNIMKR-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.36
Rot. Bonds

About tert-butyl 4-phosphanylpiperazine-1-carboxylate;ethane

tert-butyl 4-phosphanylpiperazine-1-carboxylate;ethane (PubChem CID 90729133) has the molecular formula C11H25N2O2P and a molecular weight of 248.31 g/mol. Its IUPAC name is tert-butyl 4-phosphanylpiperazine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 4-phosphanylpiperazine-1-carboxylate;ethane
PubChem CID90729133
Molecular FormulaC11H25N2O2P
Molecular Weight248.31 g/mol
Exact Mass248.17
IUPAC Nametert-butyl 4-phosphanylpiperazine-1-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CCN(P)CC1
InChIInChI=1S/C9H19N2O2P.C2H6/c1-9(2,3)13-8(12)10-4-6-11(14)7-5-10;1-2/h4-7,14H2,1-3H3;1-2H3
InChIKeyMSXCWIPRKNIMKR-UHFFFAOYSA-N
XLogP2.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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tert-butyl 4-ethanethioylpiperazine-1-carboxylate
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tert-butyl 4-tert-butylpiperazine-1-carboxylate;methane
CID 161367043
tert-butyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate
CID 20716162
azane;tert-butyl piperidine-1-carboxylate
CID 134583959
tert-butyl 4-ethylpiperazine-1-carboxylate
CID 21224793
tert-butyl 4-oxopiperidine-1-carboxylate;methane
CID 156835039
tert-butyl 4-(2-bromoacetyl)piperazine-1-carboxylate
CID 15829155
tert-butyl 4-(methylideneamino)piperazine-1-carboxylate
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tert-butyl 4-chlorosulfonylpiperazine-1-carboxylate
CID 22914649

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-phosphanylpiperazine-1-carboxylate;ethane?
The IUPAC name of tert-butyl 4-phosphanylpiperazine-1-carboxylate;ethane (CID 90729133) is tert-butyl 4-phosphanylpiperazine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 4-phosphanylpiperazine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 4-phosphanylpiperazine-1-carboxylate;ethane is CC.CC(C)(C)OC(=O)N1CCN(P)CC1.
What is the InChIKey of tert-butyl 4-phosphanylpiperazine-1-carboxylate;ethane?
The InChIKey is MSXCWIPRKNIMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N2O2P.C2H6/c1-9(2,3)13-8(12)10-4-6-11(14)7-5-10;1-2/h4-7,14H2,1-3H3;1-2H3.
What are the key properties of tert-butyl 4-phosphanylpiperazine-1-carboxylate;ethane?
tert-butyl 4-phosphanylpiperazine-1-carboxylate;ethane has a molecular weight of 248.31 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-phosphanylpiperazine-1-carboxylate;ethane is sourced from PubChem (CID 90729133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).